Molecule ID: mol29580
SMILES: Nc1nc(=O)c2nc(C(=O)O)cnc2[nH]1
InChI: InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | QSARToolbox | 1 » 0 |
| 1.60 | AttenGpKa training set | 1 » 0 |
| 2.88 | QSARToolbox | 0 » -1 |
| 3.06 | AttenGpKa training set | 0 » -1 |
| 7.72 | QSARToolbox | -1 » -2 |
| 7.86 | AttenGpKa training set | -1 » -2 |